(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C14H10N2O4S MolecularWeight: 302.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C14H10N2O4S/c17-14(10-3-5-16(18)6-4-10)19-9-11-8-12(20-15-11)13-2-1-7-21-13/h1-8H,9H2